methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate

C14H15N3O2 — CID 155515513

IUPACmethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1
InChIInChI=1S/C14H15N3O2/c1-17(2)13-9-8-12(15-16-13)10-4-6-11(7-5-10)14(18)19-3/h4-9H,1-3H3
InChIKeyLVBOAKXBGXGJBD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.00
Rot. Bonds3

About methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate

methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate (PubChem CID 155515513) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
PubChem CID155515513
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1
InChIInChI=1S/C14H15N3O2/c1-17(2)13-9-8-12(15-16-13)10-4-6-11(7-5-10)14(18)19-3/h4-9H,1-3H3
InChIKeyLVBOAKXBGXGJBD-UHFFFAOYSA-N
XLogP2.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methoxymethyl]benzoate
CID 56658563
Ethyl 4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]benzoate
CID 56668931
Ethyl 4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]oxymethyl]benzoate
CID 56682411
Ethyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
CID 71528507
Ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate
CID 56682410
Methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
CID 155524831
Ethyl 3-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71527131
Ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71528375
Ethyl 2-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71528376
4-[6-(Diethylamino)pyridazin-3-yl]benzoic acid
CID 155510702
Ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
CID 155513816
Ethyl 3-[6-(diethylamino)pyridazin-3-yl]benzoate
CID 155564525

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
The IUPAC name of methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate (CID 155515513) is methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
The canonical SMILES for methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate is COC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1.
What is the InChIKey of methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
The InChIKey is LVBOAKXBGXGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(2)13-9-8-12(15-16-13)10-4-6-11(7-5-10)14(18)19-3/h4-9H,1-3H3.
What are the key properties of methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate is sourced from PubChem (CID 155515513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).